SCHEMBL1109233

SCHEMBL1109233

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCC(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.36
DGAT1 O75907 1/20 0.36
ANPEP P15144 1/20 0.36
ADAM17 P78536 1/20 0.36
MCHR1 Q99705 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL404379 0.91 ACACB (0.42)
SCHEMBL1912287 0.90 PTPN1 (0.37) PTPN1POLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL440475 0.89 ACACB (0.39)
SCHEMBL1912145 0.87 PTPN1 (0.43) PTPN1POLBCTDSP1PPARGANPEP
SCHEMBL1109210 0.86 PTPN1 (0.45) PTPN1POLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL1109384 0.85 LMNA (0.45) ALDH1A1MCHR1
SCHEMBL1912124 0.85 GAA (0.45) PTPN1POLBCTDSP1PPARG
SCHEMBL1109437 0.85 PTPN1 (0.41) PTPN1POLBCTDSP1PPARGANPEP
SCHEMBL1109196 0.85 PTPN1 (0.45) PTPN1POLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL1109444 0.84 CTSB (0.43) PTPN1POLBCTDSP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.